N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide

C21H17F2N5O3S — CID 122305668

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)nn2)n1
InChIInChI=1S/C21H17F2N5O3S/c1-13-11-14(2)28(26-13)20-9-10-21(25-24-20)31-16-5-3-15(4-6-16)27-32(29,30)17-7-8-18(22)19(23)12-17/h3-12,27H,1-2H3
InChIKeyODCUNUBEZYOQIX-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.15
Rot. Bonds6

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide (PubChem CID 122305668) has the molecular formula C21H17F2N5O3S and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide
PubChem CID122305668
Molecular FormulaC21H17F2N5O3S
Molecular Weight457.46 g/mol
Exact Mass457.10
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)nn2)n1
InChIInChI=1S/C21H17F2N5O3S/c1-13-11-14(2)28(26-13)20-9-10-21(25-24-20)31-16-5-3-15(4-6-16)27-32(29,30)17-7-8-18(22)19(23)12-17/h3-12,27H,1-2H3
InChIKeyODCUNUBEZYOQIX-UHFFFAOYSA-N
XLogP4.15
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122305682
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2,5-dimethoxybenzenesulfonamide
CID 122305495
2-cyano-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305712
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxybenzenesulfonamide
CID 122310436
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122310468
1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305448
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
3,4-difluoro-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122311005
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea
CID 122305455
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122305535
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-6-fluorobenzamide
CID 122305398

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide (CID 122305668) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide is Cc1cc(C)n(-c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)nn2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is ODCUNUBEZYOQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O3S/c1-13-11-14(2)28(26-13)20-9-10-21(25-24-20)31-16-5-3-15(4-6-16)27-32(29,30)17-7-8-18(22)19(23)12-17/h3-12,27H,1-2H3.
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 457.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 122305668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).